SCHEMBL20187749

SCHEMBL20187749

CNCC(=O)N1CCCC[C@@H]1C(=O)NC(Cc1ccccn1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.40
ELANE P08246 1/20 0.40
FAP Q12884 2/20 0.40
CTRB1 P17538 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
DPP4 P27487 2/20 0.39
FKBP1A P62942 2/20 0.39
MAPK10 P53779 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CPT2 P23786 2/20 0.39
CPT1A P50416 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20187751 1.00 PTGER4 (0.40) PTGER4ELANEFAPCTRB1F2
SCHEMBL20188058 0.89 DPP4 (0.43) PTGER4ELANECTRB1F2PRSS1
SCHEMBL20188054 0.89 DPP4 (0.43) PTGER4ELANECTRB1F2PRSS1
SCHEMBL20188440 0.88 F2 (0.45) PTGER4ELANECTRB1F2PRSS1
SCHEMBL20188311 0.88 F2 (0.45) PTGER4ELANECTRB1F2PRSS1
SCHEMBL23863889 0.86 F2 (0.46) ELANECTRB1F2PRSS1DPP4
SCHEMBL20859032 0.86 F2 (0.46) ELANECTRB1F2PRSS1DPP4
SCHEMBL24448344 0.86 DPP4 (0.46) ELANEFAPCTRB1F2PRSS1
SCHEMBL28389317 0.85 DPP4 (0.46) ELANECTRB1F2PRSS1DPP4
SCHEMBL18094995 0.85 DPP4 (0.46) ELANECTRB1F2PRSS1DPP4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358935-B2 Prodrugs of lanicemine and their method of use BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2022-06-14 US claimed
US-20200299238-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD. 2020-09-24 US claimed
WO-2018098344-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2018-05-31 WO claimed
US-11358935-B2 Prodrugs of lanicemine and their method of use BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2022-06-14 US disclosed
US-20200299238-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD. 2020-09-24 US disclosed
WO-2018098344-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2018-05-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200299238-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE GRIN3A, GRIN1, GRM3 PTGER4 3342/4885ELANE 1124/4885FAP 1258/4885
US-11358935-B2 Prodrugs of lanicemine and their method of use GRIN3A, GRIN1, GRM3 PTGER4 3342/4885ELANE 1124/4885FAP 1258/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.